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(S,Z)-ETHYL-4-(2-TERT.-BUTOXYCARBONYLAMINO-3-PHENYLPROPIONYLAMINO)-BUT-2-ENOATE
SpectraBase Compound ID GrlxgvRUQbP
InChI InChI=1S/C20H28N2O5/c1-5-26-17(23)12-9-13-21-18(24)16(14-15-10-7-6-8-11-15)22-19(25)27-20(2,3)4/h6-12,16H,5,13-14H2,1-4H3,(H,21,24)(H,22,25)/b12-9-/t16-/m0/s1
InChIKey SCALKQFCRKPIFW-CKDIWJPDSA-N
Mol Weight 376.45 g/mol
Molecular Formula C20H28N2O5
Exact Mass 376.199822 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KIJyhv1kEu4
Name (S,Z)-ETHYL-4-(2-TERT.-BUTOXYCARBONYLAMINO-3-PHENYLPROPIONYLAMINO)-BUT-2-ENOATE
Compound Number 45
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H28N2O5
InChI InChI=1S/C20H28N2O5/c1-5-26-17(23)12-9-13-21-18(24)16(14-15-10-7-6-8-11-15)22-19(25)27-20(2,3)4/h6-12,16H,5,13-14H2,1-4H3,(H,21,24)(H,22,25)/b12-9-/t16-/m0/s1
InChIKey SCALKQFCRKPIFW-CKDIWJPDSA-N
Literature Reference Author A.BREUNING,B.DEGEL,F.SCHULZ,C.BUECHOLD,M.STEMPKA,U.MACHON,S. HEPPNER,C.GELHAUS,M.
Literature Reference Citation J.MED.CHEM.,53,1951(2010)
Literature Reference DOI 10.1021/jm900946n
Molecular Weight 376.453 g/mol
Solvent CDCl3
Source File Reference UWMZ46523